The modified Becke-Johnson exchange potential [F. Tran and P. Blaha, Phys. Rev. Lett. 102, 226401 (2009)] (TB-mBJ) is tested on various types of solids which are difficult to describe theoretically: nonmagnetic semiconducting transition-metal oxides and sulfides, metals (Fe, Co, Ni, and Cu), and (anti)ferromagnetic insulators (e.g., YBa2Cu3O6). The results for the band gap and other quantities ...

We report the calculated fundamental band gaps of wurtzite ternary alloys Zn1-xMxO (M = Mg, Cd) and the band offsets of the ZnO/Zn1-xMxO heterojunctions, these II-VI materials are important for electronics and optoelectronics. Our calculation is based on density functional theory within the linear muffin-tin orbital (LMTO) approach where the modified Becke-Johnson (MBJ) semi-local exchange is u...

The electronic structure of Pr-doped ZrSiO4 is calculated using modified Becke–Johnson potential plus on-site Coulomb interaction (MBJ + U). minimum energy gap the MBJ method 5.8 eV, which close to experimental value. When a Pr atom replaced one Zr atoms, strongly localized 4f states appear in forbidden ZrSiO4. By considering addition potential, empty about 2 eV above valence band maximum Compa...

We investigate the dependence of the strength of galaxy clustering on intrinsic luminosity using the Anglo-Australian two degree field galaxy redshift survey (2dFGRS). The 2dFGRS is over an order of magnitude larger than previous redshift surveys used to address this issue. We measure the projected two-point correlation function of galaxies in a series of volume-limited samples. The projected c...